pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Baltruschat ChEMBL	1	0	Cc1[nH]c2ccccc2c1CC[NH+](CCC(F)F)Cc1ccc(/C=C/C(=O)NO)cc1	Cc1[nH]c2ccccc2c1CCN(CCC(F)F)Cc1ccc(/C=C/C(=O)NO)cc1,Cc1[nH]c2ccccc2c1CC[NH+](CCC(F)F)Cc1ccc(/C=C/C(=O)N[O-])cc1	mol20347	Cc1[nH]c2ccccc2c1CCN(CCC(F)F)Cc1ccc(/C=C/C(=O)NO)cc1